REMARK Name = BDB025724 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.290 -0.147 0.098 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.649 1.211 -0.077 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.366 2.165 -0.167 0.00 0.00 +0.064 A ATOM 4 C LIG 1 1.704 1.779 -0.083 0.00 0.00 +0.133 A ATOM 5 F LIG 1 2.635 2.740 -0.194 0.00 0.00 -0.205 F ATOM 6 C LIG 1 2.088 0.442 0.094 0.00 0.00 +0.022 A ATOM 7 C LIG 1 1.058 -0.515 0.185 0.00 0.00 +0.036 A ENDROOT BRANCH 2 8 ATOM 8 N LIG 1 -2.022 1.545 -0.188 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.489 2.606 0.740 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.925 3.904 0.000 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.248 4.996 1.029 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.953 3.689 -1.051 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.313 4.087 -0.723 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.844 2.358 -1.711 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.881 1.311 -1.264 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.412 1.757 -1.604 0.00 0.00 +0.123 C ENDBRANCH 2 8 BRANCH 6 17 ATOM 17 C LIG 1 3.502 0.046 0.180 0.00 0.00 +0.021 A ATOM 18 C LIG 1 4.462 0.762 0.866 0.00 0.00 +0.124 A ATOM 19 N LIG 1 5.766 0.416 0.961 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 6.163 -0.706 0.342 0.00 0.00 +0.218 A ATOM 21 N LIG 1 5.311 -1.476 -0.352 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 4.016 -1.088 -0.416 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 7.482 -1.099 0.444 0.00 0.00 -0.295 N ATOM 24 C LIG 1 8.492 -0.103 0.815 0.00 0.00 +0.136 C ATOM 25 C LIG 1 9.597 -0.051 -0.254 0.00 0.00 +0.179 C ATOM 26 O LIG 1 10.259 -1.308 -0.470 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 9.420 -2.446 -0.217 0.00 0.00 +0.179 C ATOM 28 C LIG 1 7.925 -2.174 -0.446 0.00 0.00 +0.136 C ENDBRANCH 20 23 ENDBRANCH 6 17 BRANCH 1 30 ATOM 29 C LIG 1 -1.321 -2.432 0.300 0.00 0.00 +0.251 C ATOM 30 N LIG 1 -1.364 -1.059 0.195 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.269 -0.586 0.170 0.00 0.00 +0.155 HD ATOM 32 O LIG 1 -0.297 -3.110 0.300 0.00 0.00 -0.270 OA BRANCH 29 36 ATOM 33 C LIG 1 -5.069 -3.188 0.564 0.00 0.00 +0.156 A ATOM 34 C LIG 1 -3.860 -2.482 0.474 0.00 0.00 +0.177 A ATOM 35 F LIG 1 -3.907 -1.140 0.461 0.00 0.00 -0.201 F ATOM 36 C LIG 1 -2.632 -3.143 0.403 0.00 0.00 +0.076 A ATOM 37 C LIG 1 -2.625 -4.546 0.428 0.00 0.00 +0.016 A ATOM 38 C LIG 1 -3.821 -5.260 0.519 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -5.041 -4.584 0.585 0.00 0.00 +0.048 A BRANCH 33 41 ATOM 40 C LIG 1 -7.445 -3.091 0.732 0.00 0.00 +0.277 C ATOM 41 O LIG 1 -6.199 -2.416 0.621 0.00 0.00 -0.492 OA ENDBRANCH 33 41 ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 6